BDBM50107995 5-Methyl-6-(quinolin-5-ylaminomethyl)-pyrido[2,3-d]pyrimidine-2,4-diamine::6-([5-QUINOLYLAMINO]METHYL)-2,4-DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE::CHEMBL151958

SMILES: Cc1c(CNc2cccc3ncccc23)cnc2nc(N)nc(N)c12

InChI Key: InChIKey=KMSATRJZEXNGDP-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50107995   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50107995 (5-Methyl-6-(quinolin-5-ylaminomethyl)-pyrido[2,3-d...) Show SMILES Cc1c(CNc2cccc3ncccc23)cnc2nc(N)nc(N)c12 Show InChI InChI=1S/C18H17N7/c1-10-11(9-23-17-15(10)16(19)24-18(20)25-17)8-22-14-6-2-5-13-12(14)4-3-7-21-13/h2-7,9,22H,8H2,1H3,(H4,19,20,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB PubMed	n/a	n/a	0.980	n/a	n/a	n/a	n/a	n/a	n/a
Lindsley F. Kimball Research Institute Curated by ChEMBL					Assay Description Antimycobacterial activity against Mycobacterium avium complex diihydrofolate reductase (MAC DHFR)				J Med Chem 45: 41-53 (2001) BindingDB Entry DOI: 10.7270/Q2FQ9VXR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50107995 (5-Methyl-6-(quinolin-5-ylaminomethyl)-pyrido[2,3-d...) Show SMILES Cc1c(CNc2cccc3ncccc23)cnc2nc(N)nc(N)c12 Show InChI InChI=1S/C18H17N7/c1-10-11(9-23-17-15(10)16(19)24-18(20)25-17)8-22-14-6-2-5-13-12(14)4-3-7-21-13/h2-7,9,22H,8H2,1H3,(H4,19,20,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Lindsley F. Kimball Research Institute Curated by ChEMBL					Assay Description Antimycobacterial activity against human dihydrofolate reductase (hDHFR)				J Med Chem 45: 41-53 (2001) BindingDB Entry DOI: 10.7270/Q2FQ9VXR
					More data for this Ligand-Target Pair				3D Structure (crystal)